2,3-dimethoxy-4-morpholin-2-ylbenzaldehyde

C13H17NO4 — CID 117380901

IUPAC2,3-dimethoxy-4-morpholin-2-ylbenzaldehyde
SMILESCOc1c(C=O)ccc(C2CNCCO2)c1OC
InChIInChI=1S/C13H17NO4/c1-16-12-9(8-15)3-4-10(13(12)17-2)11-7-14-5-6-18-11/h3-4,8,11,14H,5-7H2,1-2H3
InChIKeySZSOGNOIBQRULS-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.18
Rot. Bonds4

About 2,3-dimethoxy-4-morpholin-2-ylbenzaldehyde

2,3-dimethoxy-4-morpholin-2-ylbenzaldehyde (PubChem CID 117380901) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2,3-dimethoxy-4-morpholin-2-ylbenzaldehyde.

Molecular Properties

Compound Name2,3-dimethoxy-4-morpholin-2-ylbenzaldehyde
PubChem CID117380901
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2,3-dimethoxy-4-morpholin-2-ylbenzaldehyde
SMILESCOc1c(C=O)ccc(C2CNCCO2)c1OC
InChIInChI=1S/C13H17NO4/c1-16-12-9(8-15)3-4-10(13(12)17-2)11-7-14-5-6-18-11/h3-4,8,11,14H,5-7H2,1-2H3
InChIKeySZSOGNOIBQRULS-UHFFFAOYSA-N
XLogP1.18
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(3-methoxy-2,4-dimethylphenyl)morpholine
CID 117316054
2-(3-bromo-2,4-dimethoxyphenyl)morpholine
CID 117486500
2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)morpholine
CID 117467306
2-(2-ethoxy-3,4-dimethoxyphenyl)morpholine
CID 117421767
2-(2-methoxy-4-methylphenyl)morpholine
CID 82611084
2-(7-methoxy-1H-indol-4-yl)morpholine
CID 115004261
2-(7-methoxy-2-methyl-1-benzofuran-4-yl)morpholine
CID 82622926
2-(5-fluoro-2,3-dimethoxy-4-methylsulfanylphenyl)morpholine
CID 117463646
2-(3-bromo-2-methoxy-5-methylphenyl)morpholine
CID 115004626
2-(5-chloro-3,4-dimethoxy-2-methylphenyl)morpholine
CID 117432130
2-(3-chloro-2-methoxy-4,5-dimethylphenyl)morpholine
CID 115004570
2-(5-fluoro-2,3-dimethoxyphenyl)morpholine
CID 117354893

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-4-morpholin-2-ylbenzaldehyde?
The IUPAC name of 2,3-dimethoxy-4-morpholin-2-ylbenzaldehyde (CID 117380901) is 2,3-dimethoxy-4-morpholin-2-ylbenzaldehyde.
What is the SMILES notation for 2,3-dimethoxy-4-morpholin-2-ylbenzaldehyde?
The canonical SMILES for 2,3-dimethoxy-4-morpholin-2-ylbenzaldehyde is COc1c(C=O)ccc(C2CNCCO2)c1OC.
What is the InChIKey of 2,3-dimethoxy-4-morpholin-2-ylbenzaldehyde?
The InChIKey is SZSOGNOIBQRULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-16-12-9(8-15)3-4-10(13(12)17-2)11-7-14-5-6-18-11/h3-4,8,11,14H,5-7H2,1-2H3.
What are the key properties of 2,3-dimethoxy-4-morpholin-2-ylbenzaldehyde?
2,3-dimethoxy-4-morpholin-2-ylbenzaldehyde has a molecular weight of 251.28 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-4-morpholin-2-ylbenzaldehyde is sourced from PubChem (CID 117380901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).